N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide

C11H15ClN2 — CID 63178650

IUPACN'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14)
InChIKeyADVHMBJCTAHTFD-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.37
Rot. Bonds1

About N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide

N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide (PubChem CID 63178650) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
PubChem CID63178650
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14)
InChIKeyADVHMBJCTAHTFD-UHFFFAOYSA-N
XLogP3.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
CID 67032180
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
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N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride
CID 21328978
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
CID 131233186
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
1,3-dichlorobenzene;guanidine
CID 174959611
N'-(3,5-dichlorophenyl)ethanimidamide
CID 63173176
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
(3-chlorophenyl)-(2-nitropropan-2-yl)diazene
CID 50886805
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
N'-(3-chlorophenyl)-N-hydroxymethanimidamide
CID 20763326

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide (CID 63178650) is N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide is CC(C)(C)/C(N)=N/c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide?
The InChIKey is ADVHMBJCTAHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14).
What are the key properties of N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide?
N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide has a molecular weight of 210.71 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63178650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).